[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate

C17H19N3O7S3 — CID 55705022

IUPAC[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C17H19N3O7S3/c1-11-7-12-8-13(29(18,23)24)4-5-14(12)20(11)15(21)10-27-16(22)9-19-30(25,26)17-3-2-6-28-17/h2-6,8,11,19H,7,9-10H2,1H3,(H2,18,23,24)
InChIKeyPKPACMUZYIGVGC-UHFFFAOYSA-N
MW473.55 g/mol
LogP0.19
Rot. Bonds7

About [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate

[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 55705022) has the molecular formula C17H19N3O7S3 and a molecular weight of 473.55 g/mol. Its IUPAC name is [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID55705022
Molecular FormulaC17H19N3O7S3
Molecular Weight473.55 g/mol
Exact Mass473.04
IUPAC Name[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C17H19N3O7S3/c1-11-7-12-8-13(29(18,23)24)4-5-14(12)20(11)15(21)10-27-16(22)9-19-30(25,26)17-3-2-6-28-17/h2-6,8,11,19H,7,9-10H2,1H3,(H2,18,23,24)
InChIKeyPKPACMUZYIGVGC-UHFFFAOYSA-N
XLogP0.19
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 55450124
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425525
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954274
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 27349129
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 46644162
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 26971051
1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 43035984
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 46671951
1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42922267
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 42982393
2-methyl-1-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46662706
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 51567928

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate (CID 55705022) is [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate is CC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is PKPACMUZYIGVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S3/c1-11-7-12-8-13(29(18,23)24)4-5-14(12)20(11)15(21)10-27-16(22)9-19-30(25,26)17-3-2-6-28-17/h2-6,8,11,19H,7,9-10H2,1H3,(H2,18,23,24).
What are the key properties of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 473.55 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 55705022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).